2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide

C20H31N3O3S — CID 46602367

IUPAC2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C2CC2)C(C)C2CC2)c1
InChIInChI=1S/C20H31N3O3S/c1-4-22(5-2)27(25,26)19-8-6-7-17(13-19)21-20(24)14-23(18-11-12-18)15(3)16-9-10-16/h6-8,13,15-16,18H,4-5,9-12,14H2,1-3H3,(H,21,24)
InChIKeyVIYNAARJKKDUDK-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.92
Rot. Bonds10

About 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide

2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 46602367) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
PubChem CID46602367
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C2CC2)C(C)C2CC2)c1
InChIInChI=1S/C20H31N3O3S/c1-4-22(5-2)27(25,26)19-8-6-7-17(13-19)21-20(24)14-23(18-11-12-18)15(3)16-9-10-16/h6-8,13,15-16,18H,4-5,9-12,14H2,1-3H3,(H,21,24)
InChIKeyVIYNAARJKKDUDK-UHFFFAOYSA-N
XLogP2.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]acetamide
CID 46602371
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 42956356
2-[cyclopropyl-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]amino]propanoic acid
CID 122100893
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
CID 86983861
N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930625
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 34960796
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 8766646
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717421
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583324
1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 7809321
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-methylpentanamide
CID 8883963
N-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]acetamide
CID 46444172

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide (CID 46602367) is 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C2CC2)C(C)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is VIYNAARJKKDUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-4-22(5-2)27(25,26)19-8-6-7-17(13-19)21-20(24)14-23(18-11-12-18)15(3)16-9-10-16/h6-8,13,15-16,18H,4-5,9-12,14H2,1-3H3,(H,21,24).
What are the key properties of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 393.55 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 46602367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).